2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde

C12H14N2O — CID 174530341

IUPAC2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde
SMILESCC1N(c2cccnc2)C=CC1(C)C=O
InChIInChI=1S/C12H14N2O/c1-10-12(2,9-15)5-7-14(10)11-4-3-6-13-8-11/h3-10H,1-2H3
InChIKeyRXHABOLBUMCQHC-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.01
Rot. Bonds2

About 2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde

2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde (PubChem CID 174530341) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde.

Molecular Properties

Compound Name2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde
PubChem CID174530341
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde
SMILESCC1N(c2cccnc2)C=CC1(C)C=O
InChIInChI=1S/C12H14N2O/c1-10-12(2,9-15)5-7-14(10)11-4-3-6-13-8-11/h3-10H,1-2H3
InChIKeyRXHABOLBUMCQHC-UHFFFAOYSA-N
XLogP2.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde?
The IUPAC name of 2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde (CID 174530341) is 2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde.
What is the SMILES notation for 2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde?
The canonical SMILES for 2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde is CC1N(c2cccnc2)C=CC1(C)C=O.
What is the InChIKey of 2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde?
The InChIKey is RXHABOLBUMCQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10-12(2,9-15)5-7-14(10)11-4-3-6-13-8-11/h3-10H,1-2H3.
What are the key properties of 2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde?
2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde has a molecular weight of 202.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-pyridin-3-yl-2H-pyrrole-3-carbaldehyde is sourced from PubChem (CID 174530341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).